ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C14H16N2O3S2 — CID 1244006

IUPACethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(CC)s2)nc1C
InChIInChI=1S/C14H16N2O3S2/c1-4-9-6-7-10(20-9)12(17)16-14-15-8(3)11(21-14)13(18)19-5-2/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyYKFSPCPAAYVRLV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.50
Rot. Bonds5

About ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 1244006) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID1244006
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Nameethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(CC)s2)nc1C
InChIInChI=1S/C14H16N2O3S2/c1-4-9-6-7-10(20-9)12(17)16-14-15-8(3)11(21-14)13(18)19-5-2/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyYKFSPCPAAYVRLV-UHFFFAOYSA-N
XLogP3.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4072242
ethyl 4-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16879786
ethyl 4-methyl-2-[(6-methylpyridine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18149014
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-(1H-imidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 110475404
ethyl 2-[3-(4-ethylphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108807240
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 60794403
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1126047

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 1244006) is ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(CC)s2)nc1C.
What is the InChIKey of ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is YKFSPCPAAYVRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-4-9-6-7-10(20-9)12(17)16-14-15-8(3)11(21-14)13(18)19-5-2/h6-7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 324.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1244006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).